⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18525482 | 0.93 | — | — | |
| SCHEMBL18525884 | 0.90 | KDM4E (0.34) | — | |
| SCHEMBL18525873 | 0.90 | — | — | |
| SCHEMBL15840145 | 0.89 | KDM4E (0.32) | — | |
| SCHEMBL15840220 | 0.88 | — | — | |
| SCHEMBL18526041 | 0.88 | KDM4E (0.30) | — | |
| SCHEMBL16410044 | 0.87 | KDM4E (0.41) | — | |
| SCHEMBL21975054 | 0.87 | PDK2 (0.32) | — | |
| SCHEMBL15840162 | 0.86 | PDK2 (0.33) | — | |
| SCHEMBL15840184 | 0.85 | PGR (0.30) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10934292-B2 | Hexamethylindanes | MERCK PATENT GMBH (DE) | 2021-03-02 | — | — | US | disclosed |
| EP-3334708-B1 | HEXAMETHYLINDANES | MERCK PATENT GMBH (DE) | 2020-08-19 | — | — | EP | disclosed |
| US-20200140440-A1 | HEXAMETHYLINDANES | MERCK PATENT GMBH (DE) | 2020-05-07 | — | — | US | disclosed |
| WO-2017025166-A1 | HEXAMETHYLINDANES | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | WO | disclosed |